repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Test clang on ARM in nightly matrix
2017-09-04
Teem
u
Murt
o
la
Int
r
o
d
uce self-pairs search in nbs
e
ar
c
h
commit
|
commitdiff
|
tree
2017-09-04
Teemu Murtola
Refactor
a
nalysi
s
nbse
a
rch t
e
s
ts
commit
|
commitdiff
|
tree
2017-08-21
Teemu Murtola
Simple
u
n
ion
-
find structure
commit
|
commitdiff
|
tree
2017-07-19
Teemu Murtola
Prune
unn
e
ce
s
sary c
e
l
l
s
i
n analysis nbs
e
arch
commit
|
commitdiff
|
tree
2017-07-17
Teemu Mu
r
tola
F
i
x hwlo
c
dete
c
tion
commit
|
commitdiff
|
tree
2017-07-11
Teemu Murtola
Suppo
r
t scoped key-value tree
t
ransform rule
s
commit
|
commitdiff
|
tree
2017-07-06
Teemu Murtola
Det
e
ct unknown m
d
p options in gmx dump/chec
k
commit
|
commitdiff
|
tree
2017-06-30
Teemu Murtola
Fi
x
boolea
n
serialization
commit
|
commitdiff
|
tree
2017-06-30
T
eemu
M
urtola
Extend
key-value tre
e
comparison
a
n
d
t
e
s
t
s
commit
|
commitdiff
|
tree
2017-06-29
T
eemu Murtol
a
G
e
ner
a
liz
e
IFor
c
eProv
i
der
commit
|
commitdiff
|
tree
2017-06-28
T
eem
u
Murt
o
l
a
Extend key-value tree serialization and
t
est
s
commit
|
commitdiff
|
tree
2017-06-27
Teemu Murto
l
a
D
o not use conf-man
.
py
f
or non-manpage doc b
u
ilds
commit
|
commitdiff
|
tree
2017-05-29
Teem
u
Murtola
Avoid some incorrect behavi
o
r with gmx solvate
commit
|
commitdiff
|
tree
2017-05-29
Teem
u
Murtola
Remove pbcutil <
-
>
md
t
ypes cycl
i
c d
e
pendency
commit
|
commitdiff
|
tree
2017-05-11
T
eemu
M
ur
t
ola
G
e
neralize
c
o
mmand-line test out
p
ut file checking
commit
|
commitdiff
|
tree
2017-04-17
T
e
e
m
u Mu
r
tola
Con
s
istent a
p
p
roach for whole-program
tests
commit
|
commitdiff
|
tree
2017-04-11
Teemu Murtola
Improve key
-
v
a
lue tree
gmx du
m
p support
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Fi
x
memory acces
s
issues in gmx solvate
commit
|
commitdiff
|
tree
2017-04-06
Teemu Murtola
Co
n
sistent naming for
g
mxana tests
commit
|
commitdiff
|
tree
2017-04-04
Teemu Mur
t
o
l
a
Ut
i
lity fun
c
tions for form
a
t
ti
n
g string values
commit
|
commitdiff
|
tree
2017-03-13
Teem
u
Murtola
Improve
option support & tests for key-value
tre
e
s
commit
|
commitdiff
|
tree
2017-03-13
T
e
e
m
u
Murtola
Rem
o
ve manual
a
lignment from InMemorySerial
i
z
er
commit
|
commitdiff
|
tree
2017-03-12
T
eemu Murtola
Consistent
T
e
x
tWri
t
er
t
railing whit
e
space handling
commit
|
commitdiff
|
tree
2017-03-11
Teemu Murtol
a
U
pdate copyright year for gmx -ve
r
sio
n
commit
|
commitdiff
|
tree
2017-03-04
Teem
u
Murtola
Remove MDModules
u
se from mdlib
commit
|
commitdiff
|
tree
2017-03-04
Teemu Murtola
Spl
i
t md module fac
e
t
s
to di
f
fe
r
e
n
t i
n
terfaces
commit
|
commitdiff
|
tree
2017-02-28
Teemu Murtola
More documentati
o
n for key-value t
r
ees
commit
|
commitdiff
|
tree
2017-02-27
T
eem
u
M
u
rt
o
la
D
ecouple t
_
inputrec f
r
om MDModules
commit
|
commitdiff
|
tree
2017-02-27
Teemu Murto
l
a
Remove module
r
efe
r
ences
f
rom t_inpu
t
re
c
commit
|
commitdiff
|
tree
2017-02-10
Teemu Murtol
a
C
hec
k
log output
i
n
thread affinity
t
ests
commit
|
commitdiff
|
tree
2017-02-09
Teem
u
M
u
r
t
o
l
a
Mu
l
t
i
-rank thread af
f
init
y
tests
commit
|
commitdiff
|
tree
2017-02-09
Teemu Murto
l
a
Document key-val
u
e tree trans
f
o
rms and improve
c
hecks
commit
|
commitdiff
|
tree
2017-02-09
T
e
emu Murt
o
la
Overview documentatio
n
for new mdp i
n
put scheme
commit
|
commitdiff
|
tree
2017-02-08
Teemu Mur
t
ola
Generic KeyValueTree broa
d
cast
commit
|
commitdiff
|
tree
2017-02-08
Tee
m
u
Murt
o
l
a
Generic gmx check
i
mp
l
ementation
w
ith KeyValueTree
commit
|
commitdiff
|
tree
2017-02-08
T
e
e
mu
M
urtola
Generic gm
x
dump implementation fo
r
KeyValue
T
ree
commit
|
commitdiff
|
tree
2017-02-08
Teemu Murtola
Gen
e
ric tpr handling for electric field
commit
|
commitdiff
|
tree
2016-12-12
Teemu Murt
o
la
M
e
rge
b
r
anc
h
r
e
lease-2016
commit
|
commitdiff
|
tree
2016-12-10
Teemu Murtola
Minor CMake cleanu
p
& modernizatio
n
commit
|
commitdiff
|
tree
2016-12-10
Teem
u
M
urt
o
la
Build
s
cr
i
pts
f
or improved
release work
f
low
commit
|
commitdiff
|
tree
2016-12-08
T
e
e
m
u M
u
r
tola
Fix and clean
u
p
handling of some li
n
king
commit
|
commitdiff
|
tree
2016-12-08
Teemu Murto
l
a
Fix possible m
e
mory err
o
r with long s
e
lections
commit
|
commitdiff
|
tree
2016-12-07
T
eemu Murtola
Fix use of
position variab
l
es wi
t
h plus/merge
commit
|
commitdiff
|
tree
2016-11-29
Teemu M
u
rtola
A
ddit
i
o
nal selection hel
p
commit
|
commitdiff
|
tree
2016-11-06
Teemu
M
u
rtola
Add select
i
o
n
-enabled gmx traj
commit
|
commitdiff
|
tree
2016-10-30
Teem
u
Murtola
S
u
ppor
t
n
ormaliz
i
ng
val
u
es
in KeyVal
u
eTr
e
e
commit
|
commitdiff
|
tree
2016-10-24
Teemu
Murt
o
la
Electric field mdp pars
i
ng usin
g
options
commit
|
commitdiff
|
tree
2016-10-24
Teemu Murtol
a
S
u
p
port for de
f
ault
va
l
ues
fr
o
m Options to
KeyV
a
lu
e
T
ree
commit
|
commitdiff
|
tree
2016-10-21
T
eemu
Murtola
Clea
n
up option (defau
l
t) value ac
c
e
s
s
commit
|
commitdiff
|
tree
2016-10-19
Teemu Murt
o
la
Se
r
ializatio
n
support
f
or
K
eyVa
l
ueTree
commit
|
commitdiff
|
tree
2016-10-17
Te
e
mu Murtol
a
S
u
pport o
p
t
i
o
n
as
s
ignment from di
f
ferent precision
commit
|
commitdiff
|
tree
2016-10-17
Teemu Murtol
a
Add sup
p
ort f
o
r reading
v
alues from refdata
commit
|
commitdiff
|
tree
2016-10-16
Teemu Murtola
I
m
proved error
h
andling f
o
r
Ke
y
Value
T
r
ee o
p
eration
s
commit
|
commitdiff
|
tree
2016-10-15
Teemu Murtola
Improved addre
s
s sanit
i
zer suppo
r
t
commit
|
commitdiff
|
tree
2016-10-15
Teemu M
u
rtol
a
Work around memory leak in t_state
commit
|
commitdiff
|
tree
2016-10-15
Tee
m
u Mur
t
ola
Fix most memory leaks
re
c
ently in
t
roduced
commit
|
commitdiff
|
tree
2016-10-14
T
e
e
mu Murtola
Us
e
g
m
x_m
t
op_t in
selections,
part 3
commit
|
commitdiff
|
tree
2016-10-14
Teemu Murtola
Use gmx_mtop_
t
in selections,
p
art 2
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murtola
Use gm
x
_mt
o
p_t in sel
e
c
t
ions, part 2
commit
|
commitdiff
|
tree
2016-10-13
Te
e
mu
Murtola
Add
b
a
ck-mapping t
o
K
e
y
ValueTreeTransform
commit
|
commitdiff
|
tree
2016-10-13
Teemu Murt
o
la
Update
bun
d
led
T
NG
commit
|
commitdiff
|
tree
2016-10-13
Teemu Mu
r
tola
Get
t
e
r
for mapp
e
d paths from KeyValu
e
TreeTransform
commit
|
commitdiff
|
tree
2016-10-12
T
e
emu Murtola
Use g
m
x_mto
p
_
t
in selections,
p
art
1
commit
|
commitdiff
|
tree
2016-10-12
Teemu Murtola
Wrap
s
el
.
me
t
h
o
d
evaluation
p
arameters to struct
commit
|
commitdiff
|
tree
2016-10-11
Teemu
M
urtola
Support concurrent t_topology and gmx_mtop_t u
s
e
commit
|
commitdiff
|
tree
2016-10-11
T
e
em
u
Murtola
C
h
eck atom mass availa
b
ili
t
y
i
n s
e
lections
commit
|
commitdiff
|
tree
2016-10-05
T
eemu Murt
o
la
Support different
key m
a
tching in KeyValueTreeTra
n
s
form
commit
|
commitdiff
|
tree
2016-10-05
Teemu Murtola
Merge
"Merge branch rele
a
se-5-1 into release-2016"
.
.
.
commit
|
commitdiff
|
tree
2016-09-24
Teemu Murtol
a
F
ix default nice level in m
d
ru
n
-onl
y
build
commit
|
commitdiff
|
tree
2016-09-12
Teemu Murtola
Fi
x
v
arious memor
y
leaks
commit
|
commitdiff
|
tree
2016-09-07
Teemu Murtola
Clean up CTe
s
t t
e
st managem
e
nt
commit
|
commitdiff
|
tree
2016-08-30
Teemu M
u
rtola
B
a
s
ic supp
o
rt
for
t
r
ansforming KeyVa
l
ueTrees
commit
|
commitdiff
|
tree
2016-08-27
Tee
m
u Murtol
a
Support K
e
yValueTree
o
bjects in
r
e
fdata
commit
|
commitdiff
|
tree
2016-08-18
Tee
m
u Murtola
Chec
k
f
o
r
u
n
used
refd
a
ta values
commit
|
commitdiff
|
tree
2016-08-18
Teemu Mur
t
o
la
Generic structure
d
key-
v
alue
tre
e
for optio
n
s
commit
|
commitdiff
|
tree
2016-08-18
T
e
emu Murtola
Support for no
n
-string
o
ption value assignment
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Ba
s
ic
s
up
p
ort for a
r
ray-of-structs in opti
o
ns
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
General
i
ze and
s
i
m
plify option v
a
lue sto
r
age
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Gen
e
ralize
o
ption section internals
commit
|
commitdiff
|
tree
2016-08-17
Teemu Murtola
Reimplement subsections in Option
s
commit
|
commitdiff
|
tree
2016-08-04
Teemu Murtola
Fix/improve doc links
i
n template/RE
A
D
M
E
commit
|
commitdiff
|
tree
2016-08-01
Teemu Murtol
a
Funct
i
on to split d
e
limited
str
i
ngs
commit
|
commitdiff
|
tree
2016-07-14
Teemu
Murtol
a
U
se newer gcc
for c
o
ver
a
ge
commit
|
commitdiff
|
tree
2016-07-07
Te
e
mu Murtola
Change handling
for mis
s
ing r
e
len
g
docs
commit
|
commitdiff
|
tree
2016-06-30
Teemu Murtola
Extract string par
s
ing routine
s
to utility
commit
|
commitdiff
|
tree
2016-06-28
Tee
m
u Murtola
S
plit up compare
.
*
commit
|
commitdiff
|
tree
2016-06-27
Teemu Murtola
Fac
t
ory for creat
i
ng t
_
in
p
u
trec
commit
|
commitdiff
|
tree
2016-06-01
Teemu Mur
t
o
l
a
U
s
e C++ replacem
e
nt
for md_log
g
in
g
.
*
commit
|
commitdiff
|
tree
2016-06-01
Teemu Murtola
Basic C++ logging interfac
e
commit
|
commitdiff
|
tree
2016-05-31
Teemu Murtola
Improve make_ndx help text
commit
|
commitdiff
|
tree
2016-05-25
Te
e
mu Murtola
Support for rea
l
MPI unit
t
ests
commit
|
commitdiff
|
tree
2016-05-24
Teemu
M
urtola
Tests for single-rank
thread affinity
s
etting
commit
|
commitdiff
|
tree
2016-05-21
Te
e
mu Murtola
Pass
number of
local threads to thread
a
f
finity
commit
|
commitdiff
|
tree
2016-05-21
Teemu M
u
rtol
a
A
l
low creat
i
ng mock HardwareTopol
o
gy obje
c
ts
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
U
s
e only Hardwa
r
eTopology f
o
r thread
a
f
f
i
n
ity
commit
|
commitdiff
|
tree
2016-05-21
Teemu Murtola
Merge branch r
e
l
ease-2016
commit
|
commitdiff
|
tree
2016-05-21
Tee
m
u Murtola
Bump version
nu
m
bers f
o
r
2
0
17 devel
o
pment
commit
|
commitdiff
|
tree
2016-05-17
Teemu M
u
rtola
Fi
x
some th
r
ead aff
i
nity cases
commit
|
commitdiff
|
tree
2016-05-10
T
e
emu Murtola
Addit
i
onal Jenkins docum
e
ntation
commit
|
commitdiff
|
tree
2016-05-10
Teemu M
u
rto
l
a
Include releng documenta
t
ion to developer guide
commit
|
commitdiff
|
tree
next